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作者：Altae-Tran, Han; Kannan, Soumya; Suberski, Anthony J.; Mears, Kepler S.; Demircioglu, F. Esra; Moeller, Lukas; Kocalar, Selin; Oshiro, Rachel; Makarova, Kira S.; Macrae, Rhiannon K.; Koonin, Eugene V.; Zhang, Feng
作者单位：Howard Hughes Medical Institute; Massachusetts Institute of Technology (MIT); Harvard University; Massachusetts Institute of Technology (MIT); Broad Institute; Massachusetts Institute of Technology (MIT); Massachusetts Institute of Technology (MIT); Massachusetts Institute of Technology (MIT); National Institutes of Health (NIH) - USA; NIH National Library of Medicine (NLM)
摘要：Microbial systems underpin many biotechnologies, including CRISPR, but the exponential growth of sequence databases makes it difficult to find previously unidentified systems. In this work, we develop the fast locality-sensitive hashing-based clustering (FLSHclust) algorithm, which performs deep clustering on massive datasets in linearithmic time. We incorporated FLSHclust into a CRISPR discovery pipeline and identified 188 previously unreported CRISPR-linked gene modules, revealing many addit...
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作者：Halevy, I.; Fike, D. A.; Pasquier, V.; Bryant, R. N.; Wenk, C. B.; Turchyn, A. V.; Johnston, D. T.; Claypool, G. E.
作者单位：Weizmann Institute of Science; Washington University (WUSTL); Purdue University System; Purdue University; University of Cambridge; Harvard University
摘要：Reconstructions of coupled carbon, oxygen, and sulfur cycles rely heavily on sedimentary pyrite sulfur isotope compositions (delta S-34(pyr)). With a model of sediment diagenesis, paired with global datasets of sedimentary parameters, we show that the wide range of delta S-34(pyr) (similar to 100 per mil) in modern marine sediments arises from geographic patterns in the relative rates of diffusion, burial, and microbial reduction of sulfate. By contrast, the microbial sulfur isotope fractionat...
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作者：Kim, Joonsoo; Kimura, Yuki; Puchala, Brian; Yamazaki, Tomoya; Becker, Udo; Sun, Wenhao
作者单位：University of Michigan System; University of Michigan; Hokkaido University; University of Michigan System; University of Michigan
摘要：Crystals grow in supersaturated solutions. A mysterious counterexample is dolomite CaMg(CO3)(2), a geologically abundant sedimentary mineral that does not readily grow at ambient conditions, not even under highly supersaturated solutions. Using atomistic simulations, we show that dolomite initially precipitates a cation-disordered surface, where high surface strains inhibit further crystal growth. However, mild undersaturation will preferentially dissolve these disordered regions, enabling inc...
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作者：Pennisi, Elizabeth
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作者：Zhang, Rui; Yu, Tingting; Dong, Guangbin
作者单位：University of Chicago
摘要：Preparation of diverse homologs from lead compounds has been a common and important practice in medicinal chemistry. However, homologation of carboxylic acid derivatives, particularly amides, remains challenging. Here we report a hook-and-slide strategy for homologation of tertiary amides with tunable lengths of the inserted carbon chain. Alkylation at the alpha-position of the amide (hook) is followed by highly selective branched-to-linear isomerization (slide) to effect amide migration to th...
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作者：Bryant, R. N.; Houghton, J. L.; Jones, C.; Pasquier, V.; Halevy, I.; Fike, D. A.
作者单位：Washington University (WUSTL); Purdue University System; Purdue University; Weizmann Institute of Science
摘要：Reconstructions of past environmental conditions and biological activity are often based on bulk stable isotope proxies, which are inherently open to multiple interpretations. This is particularly true of the sulfur isotopic composition of sedimentary pyrite (delta S-34(pyr)), which is used to reconstruct ocean-atmosphere oxidation state and track the evolution of several microbial metabolic pathways. We present a microanalytical approach to deconvolving the multiple signals that influence del...
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作者：Xie, Liangjun; Yin, Li; Yu, Yuan; Peng, Guyang; Song, Shaowei; Ying, Pingjun; Cai, Songting; Sun, Yuxin; Shi, Wenjing; Wu, Hao; Qu, Nuo; Guo, Fengkai; Cai, Wei; Wu, Haijun; Zhang, Qian; Nielsch, Kornelius; Ren, Zhifeng; Liu, Zihang; Sui, Jiehe
作者单位：Harbin Institute of Technology; Harbin Institute of Technology; Harbin Institute of Technology; RWTH Aachen University; Xi'an Jiaotong University; University of Houston System; University of Houston; University of Houston System; University of Houston; Leibniz Association; Leibniz Institute for Solid State & Materials Research Dresden; Northwestern University
摘要：Thermoelectric interface materials (TEiMs) are essential to the development of thermoelectric generators. Common TEiMs use pure metals or binary alloys but have performance stability issues. Conventional selection of TEiMs generally relies on trial-and-error experimentation. We developed a TEiM screening strategy that is based on phase diagram predictions by density functional theory calculations. By combining the phase diagram with electrical resistivity and melting points of potential reacti...
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作者：Papkou, Andrei; Garcia-Pastor, Lucia; Escudero, Jose Antonio; Wagner, Andreas
作者单位：University of Zurich; Complutense University of Madrid; Complutense University of Madrid; Swiss Institute of Bioinformatics; The Santa Fe Institute
摘要：Fitness landscape theory predicts that rugged landscapes with multiple peaks impair Darwinian evolution, but experimental evidence is limited. In this study, we used genome editing to map the fitness of >260,000 genotypes of the key metabolic enzyme dihydrofolate reductase in the presence of the antibiotic trimethoprim, which targets this enzyme. The resulting landscape is highly rugged and harbors 514 fitness peaks. However, its highest peaks are accessible to evolving populations via abundan...
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作者：Service, Robert F.
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作者：Whitewoods, Christopher
作者单位：University of Cambridge
